UCSF

ZINC44713034

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 12 Yes

Other Names:

MFCD12963157

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.76 3.35 -46.32 1 4 -1 69 161.14 1
Mid Mid (pH 6-8) 0.76 3.78 -43.75 2 4 0 70 162.148 1

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )